1,3-bis(4-ethylphenyl)-6-[5-(methanesulfonamido)-2-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid

C29H27N5O4S — CID 155684677

IUPAC1,3-bis(4-ethylphenyl)-6-[5-(methanesulfonamido)-2-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCc1ccc(-c2nn(-c3ccc(CC)cc3)c3nc(-c4ccc(NS(C)(=O)=O)cn4)cc(C(=O)O)c23)cc1
InChIInChI=1S/C29H27N5O4S/c1-4-18-6-10-20(11-7-18)27-26-23(29(35)36)16-25(24-15-12-21(17-30-24)33-39(3,37)38)31-28(26)34(32-27)22-13-8-19(5-2)9-14-22/h6-17,33H,4-5H2,1-3H3,(H,35,36)
InChIKeyYURQMZBQVGIZOB-UHFFFAOYSA-N
MW541.63 g/mol
LogP5.34
Rot. Bonds8

About 1,3-bis(4-ethylphenyl)-6-[5-(methanesulfonamido)-2-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid

1,3-bis(4-ethylphenyl)-6-[5-(methanesulfonamido)-2-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 155684677) has the molecular formula C29H27N5O4S and a molecular weight of 541.63 g/mol. Its IUPAC name is 1,3-bis(4-ethylphenyl)-6-[5-(methanesulfonamido)-2-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1,3-bis(4-ethylphenyl)-6-[5-(methanesulfonamido)-2-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID155684677
Molecular FormulaC29H27N5O4S
Molecular Weight541.63 g/mol
Exact Mass541.18
IUPAC Name1,3-bis(4-ethylphenyl)-6-[5-(methanesulfonamido)-2-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCc1ccc(-c2nn(-c3ccc(CC)cc3)c3nc(-c4ccc(NS(C)(=O)=O)cn4)cc(C(=O)O)c23)cc1
InChIInChI=1S/C29H27N5O4S/c1-4-18-6-10-20(11-7-18)27-26-23(29(35)36)16-25(24-15-12-21(17-30-24)33-39(3,37)38)31-28(26)34(32-27)22-13-8-19(5-2)9-14-22/h6-17,33H,4-5H2,1-3H3,(H,35,36)
InChIKeyYURQMZBQVGIZOB-UHFFFAOYSA-N
XLogP5.34
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.63
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1,3-bis(4-ethylphenyl)-6-[5-(methanesulfonamido)-2-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid with MolForge

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Related Compounds

6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
4-[[8-(1-Cyclohexylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199165
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
4-[(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
CID 845965
4-[(3-Phenyltriazolo[4,5-d]pyrimidin-5-yl)amino]benzoic acid
CID 44448320
4-[[8-(2-Propan-2-yl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199136
4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzoic acid
CID 139369690
6-(pyridin-3-yl)-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16367113
4-[[3-(1-Adamantyl)triazolo[4,5-d]pyrimidin-5-yl]amino]benzoic acid
CID 44448716
6-[4-(Hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600114
6-(4-Fluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600249
6-(2,4-Difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600250

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-ethylphenyl)-6-[5-(methanesulfonamido)-2-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1,3-bis(4-ethylphenyl)-6-[5-(methanesulfonamido)-2-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 155684677) is 1,3-bis(4-ethylphenyl)-6-[5-(methanesulfonamido)-2-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1,3-bis(4-ethylphenyl)-6-[5-(methanesulfonamido)-2-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1,3-bis(4-ethylphenyl)-6-[5-(methanesulfonamido)-2-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is CCc1ccc(-c2nn(-c3ccc(CC)cc3)c3nc(-c4ccc(NS(C)(=O)=O)cn4)cc(C(=O)O)c23)cc1.
What is the InChIKey of 1,3-bis(4-ethylphenyl)-6-[5-(methanesulfonamido)-2-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is YURQMZBQVGIZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O4S/c1-4-18-6-10-20(11-7-18)27-26-23(29(35)36)16-25(24-15-12-21(17-30-24)33-39(3,37)38)31-28(26)34(32-27)22-13-8-19(5-2)9-14-22/h6-17,33H,4-5H2,1-3H3,(H,35,36).
What are the key properties of 1,3-bis(4-ethylphenyl)-6-[5-(methanesulfonamido)-2-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
1,3-bis(4-ethylphenyl)-6-[5-(methanesulfonamido)-2-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 541.63 g/mol, XLogP of 5.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-ethylphenyl)-6-[5-(methanesulfonamido)-2-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 155684677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).